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KEYORGANICS-ZINC04105033

 MMsINC code: MMs02122798
Type: Neutral
Formula: C19H16ClFN2O3
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.7522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.799 g/mol  logS: -5.73348  SlogP: 4.64752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126093  Sterimol/B1: 2.11554  Sterimol/B2: 4.37808  Sterimol/B3: 4.52793
  Sterimol/B4: 10.2951  Sterimol/L: 14.7137 
 
 Surface and Volume Properties
  Accessible surface: 617.578  Positive charged surface: 330.353  Negative charged surface: 287.225  Volume: 333.625
  Hydrophobic surface: 553.849  Hydrophilic surface: 63.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.